Ήλιος - Αποθετήριο ΕΙΕ: Πλοήγηση στον Ήλιο

Πηγαίνετε σε ένα σημείο του ευρετηρίου:
Ή πληκτρολογήστε ένα έτος:

Αποτελέσματα 41 έως 60 από 74 < προηγούμενο επόμενο >

Ημερομηνία	Τίτλος	Δημιουργός
2021	Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH3)4]q, q = -2, -1, +2, +3	Tzeli, Demeter; Raugei, Simone; Xantheas, Sotiris S
2022	Conformational properties of new thiosemicarbazone and thiocarbohydrazone derivatives and their possible targets	Georgiou, N.; Katsogiannou, A. ; Tzeli, D. ; Vassiliou, S. ; Mavromoustakos, T.
2022	Molecular investigation of artificial and natural sweeteners as potential anti-inflammatory agents	Chontzopoulou, Eleni; Papaemmanouil, Christina D; Chatziathanasiadou, Maria V; Kolokouris, Dimitrios; Kiriakidi, Sofia; Konstantinidi, Athina; Gerogianni, Ioanna; Tselios, Theodore; Kostakis, Ioannis K; Chrysina, Evangelia D. ; Hadjipavlou-Litina, Dimitra; Tzeli, Demeter; Tzakos, Andreas G; Mavromoustakos, Thomas
2022	3-input AND molecular logic gate with enhanced fluorescence output: The key atom for the accurate prediction of the spectra	Tzeli, Demeter; Tzeliou, Christina Eleftheria
2022	Progress in Electronic-Structure Based Computational Methods: From Small Molecules to Large Molecular Systems of Biological Significance	Bytautas, Laimutis; J. Klein, Douglas; Tzeli, Demeter ; Ferrer, Maxime; Elguero, José; Alkorta, Ibon; Oliva-Enrich, Josep M.
2022	The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes	Mejuto-Zaera, Carlos; Tzeli, Demeter; Williams-Young, David; Tubman, Norm M; Matoušek, Mikuláš; Brabec, Jiri; Veis, Libor; Xantheas, Sotiris S; De Jong, Wide A.
2022	Molybdenum-Sulfur Bond: Electronic Structure of Low-Lying States of MoS	Tzeli, Demeter; Karapetsas, Ioannis; Merriles, Dakota M; Ewigleben, Joshua C; Morse, Michael D
2022	A 3-input AND molecular logic gate with enhanced fluorescence output: The key atom for the accurate prediction of the spectra	Tzeliou, Christina; Tzeli, Demeter
2022	Losartan Interactions with 2-Hydroxypropyl-β-CD	Palli, Vasiliki; Leonis, Georgios; Zoupanou, Nikoletta; Georgiou, Nikitas; Chountoulesi, Maria; Naziris, Nikolaos; Tzeli, Demeter; Demetzos, Costas; Valsami, Georgia; Marousis, Konstantinos D; Spyroulias, Georgios A; Mavromoustakos, Thomas
2022	Conformational Properties of New Thiosemicarbazone and Thiocarbohydrazone Derivatives and Their Possible Targets	Georgiou, Nikitas; Katsogiannou, Aikaterini; Skourtis, Dimitrios; Iatrou, Hermis; Tzeli, Demeter; Vassiliou, Stamatia; Javornik, Uroš; Plavec, Janez; Mavromoustakos, Thomas
2022	3-Input AND Molecular Logic Gate with Enhanced Fluorescence Output: The Key Atom for the Accurate Prediction of the Spectra	Tzeliou, C. ; Tzeli, Demeter
2022	Review on the QM/MM Methodologies and Their Application to Metalloproteins	Tzeliou, Christina Eleftheria; Mermigki, Markella Aliki; Tzeli, Demeter
2022	Application of Quantum Mechanics/Molecular Mechanics Methodologies to Metalloproteins	Tzeli, Demeter; Mermigki, Markella.; Tzeliou, Christina.
2022	Computational spectroscopic study of tetraphenyl porphyrins in solution and on 2D-MoS2 surface	Papamichalis, E.
2022	Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported "first row anomaly" in XHn (X = C, Si, Ge, Sn; n = 1-4)	Tzeli, Demeter; Xantheas, Sotiris S
2022	A DFT study towards the amide cis‐trans Isomerization process of the myc‐max Inhibitor mycro 3 and Its photophysical properties; Synthesis and NMR studies of the trans‐conformation	Mamalis, Dimitrios; Panagiotopoulou, Angeliki; Couladouros, Elias A.; Tzeli, Demeter; Vidali, Veroniki P.
2022	Conformational Properties and Putative Bioactive Targets for Novel Thiosemicarbazone Derivatives	Georgiou, Nikitas; Cheilari, Antigoni; Karta, Danai; Chontzopoulou, Eleni; Plavec, Janez; Tzeli, Demeter; Vassiliou, Stamatia; Mavromoustakos, Thomas
2022	Analysis of chemical bonding of the ground and low-lying states of Mo2 and of Mo2Clx complexes, x = 2-10	Depastas, Teo; Androutsopoulos, Alexandros; Tzeli, Demeter
2022	Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin	Vakali, Vasiliki; Papadourakis, Michail; Georgiou, Nikitas; Zoupanou, Nikoletta; Diamantis, Dimitrios A; Javornik, Uroš; Papakyriakopoulou, Paraskevi; Plavec, Janez; Valsami, Georgia; Tzakos, Andreas G; Tzeli, Demeter ; Cournia, Zoe; Mavromoustakos, Thomas
2022	The many-body expansion for metals. I. The alkaline earth metals Be, Mg, and Ca	Mato, Joani; Tzeli, Demeter ; Xantheas, Sotiris S

Αποτελέσματα 41 έως 60 από 74 < προηγούμενο επόμενο >